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BioLiP

PDB CCD ID: 5GM
Number of entries in BioLiP: 0
Chemical formula: C8 H17 N O2
InChI: InChI=1S/C8H17NO2/c1-4-6(2)5-8(3,9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-,8-/m0/s1
InChIKey: YWAJMILGBXVJTJ-XPUUQOCRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[C@H](C)C[C@](C)(N)C(O)=O
OpenEye OEToolkits 1.7.6CC[C@H](C)C[C@@](C)(C(=O)O)N
CACTVS 3.385CC[CH](C)C[C](C)(N)C(O)=O
ACDLabs 12.01NC(C(=O)O)(CC(C)CC)C
OpenEye OEToolkits 1.7.6CCC(C)CC(C)(C(=O)O)N
Name:(4S)-2,4-dimethyl-L-norleucine
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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